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Molecular physics / Nuclear magnetic resonance / Spectroscopy / Theoretical chemistry / Computational chemistry / Spartan / Nuclear magnetic resonance spectroscopy / Molecular orbital / Force field / Chemistry / Science / Physics


METHODS iSpartan uses molecular mechanics based on the Merck Molecular Force Field (MMFF) for 2D→3D conversion and for conformational searching.1 Except for the heat of formation, quantum chemical results obtained eith
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Document Date: 2014-03-28 15:00:57

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